4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one

C13H17ClN4O3 — CID 115593128

IUPAC4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCc2c(C)noc2C)c(Cl)c1=O
InChIInChI=1S/C13H17ClN4O3/c1-8-10(9(2)21-17-8)6-15-11-7-16-18(4-5-20-3)13(19)12(11)14/h7,15H,4-6H2,1-3H3
InChIKeyWQZBIQQDKNPGQZ-UHFFFAOYSA-N
MW312.76 g/mol
LogP1.76
Rot. Bonds6

About 4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one

4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 115593128) has the molecular formula C13H17ClN4O3 and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID115593128
Molecular FormulaC13H17ClN4O3
Molecular Weight312.76 g/mol
Exact Mass312.10
IUPAC Name4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCc2c(C)noc2C)c(Cl)c1=O
InChIInChI=1S/C13H17ClN4O3/c1-8-10(9(2)21-17-8)6-15-11-7-16-18(4-5-20-3)13(19)12(11)14/h7,15H,4-6H2,1-3H3
InChIKeyWQZBIQQDKNPGQZ-UHFFFAOYSA-N
XLogP1.76
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one with MolForge

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Related Compounds

4-chloro-2-(2-methoxyethyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 103703243
4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
CID 114434381
4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 115573801
4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114439954
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one
CID 115586302
4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114439562
4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one
CID 114434254
4-chloro-2-(2-methoxyethyl)-5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-one
CID 103742961
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537
4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
CID 115579123
4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 104696007

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one (CID 115593128) is 4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(NCc2c(C)noc2C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is WQZBIQQDKNPGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O3/c1-8-10(9(2)21-17-8)6-15-11-7-16-18(4-5-20-3)13(19)12(11)14/h7,15H,4-6H2,1-3H3.
What are the key properties of 4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one?
4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 312.76 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 115593128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).